3-[(3R)-3,7-dimethyloct-6-enyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid
| Internal ID | 7f469d74-dea0-4bff-bb11-5e3ac32e3dca |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 3-[(3R)-3,7-dimethyloct-6-enyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid |
| SMILES (Canonical) | CC(CCC=C(C)C)CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC |
| SMILES (Isomeric) | C[C@H](CCC=C(C)C)CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC |
| InChI | InChI=1S/C26H34O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-12,17,19,27H,8,10,13-16H2,1-4H3,(H,28,29)/t19-/m1/s1 |
| InChI Key | BGYWMHFOMULQIA-LJQANCHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O4 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 3-[(3R)-3,7-dimethyloct-6-enyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-3r-37-dimethyloct-6-enyl-2-hydroxy-4-methoxy-6-2-phenylethylbenzoic-acid.jpg "2D Structure of 3-[(3R)-3,7-dimethyloct-6-enyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.41% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.39% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 93.20% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.64% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.29% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.19% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.99% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.36% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.20% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.82% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.12% | 94.08% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.90% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.39% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.98% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.46% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.05% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Amorpha fruticosa |
| PubChem | 162943391 |
| LOTUS | LTS0094132 |
| wikiData | Q104935798 |